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827328-67-6 molecular structure
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[(4-ethoxyphenyl)methyl](2-methoxyethyl)amine

ChemBase ID: 306797
Molecular Formular: C12H19NO2
Molecular Mass: 209.28476
Monoisotopic Mass: 209.14157885
SMILES and InChIs

SMILES:
c1(ccc(cc1)CNCCOC)OCC
Canonical SMILES:
COCCNCc1ccc(cc1)OCC
InChI:
InChI=1S/C12H19NO2/c1-3-15-12-6-4-11(5-7-12)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3
InChIKey:
HMFUEAILNGLZHU-UHFFFAOYSA-N

Cite this record

CBID:306797 http://www.chembase.cn/molecule-306797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-ethoxyphenyl)methyl](2-methoxyethyl)amine
IUPAC Traditional name
[(4-ethoxyphenyl)methyl](2-methoxyethyl)amine
Synonyms
(4-ethoxybenzyl)(2-methoxyethyl)amine
CAS Number
827328-67-6
MDL Number
MFCD05863667

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3699706  LogD (pH = 7.4) 0.07606363 
Log P 1.6837559  Molar Refractivity 61.5613 cm3
Polarizability 24.27139 Å3 Polar Surface Area 30.49 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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